![1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone structure](/static/products/3390/339020-85-8.webp)
1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone
TL;DR: 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone (CAS 339020-85-8) is a chemical compound with molecular formula C13H20N6O5 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]ethanone
Also Known As: 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone, 8B-086, 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydropyridin-2-yl]piperazin-1-yl}ethan-1-one, 1-[4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]ethanone, 1-[4-(1-methyl-6-methylamino-3,5-dinitro-4H-pyridin-2-yl)piperazin-1-yl]ethanone
| Molecular Formula | C13H20N6O5 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | -0.403 |
| Topological Polar Surface Area | 125.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.1495 |
| Heavy Atoms | 24 |
| Complexity | 634.76355 |
Chemical Identifiers
| CAS Number | 339020-85-8 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=C(CC(=C(N2C)NC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone (CAS 339020-85-8), with molecular formula C13H20N6O5 and molecular weight 340.15 g/mol. IUPAC: 1-[4-[1-methyl-6-(methylamino)-3,5-dinitro-4H-pyridin-2-yl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone
Property Insights of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone
The XLogP value of -0.403 indicates that 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone. Following Lipinski's Rule of Five, 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone?
The CAS number of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone is 339020-85-8.
What is the molecular formula of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone?
The molecular formula of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone is C13H20N6O5.
What is the molecular weight of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone?
The molecular weight of 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone is 340.15 g/mol.
Where can I buy 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone?
You can request a quote for 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[1-methyl-6-(methylamino)-3,5-dinitro-1,4-dihydro-2-pyridinyl]piperazino}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.